5-chloropentyl methyl carbonate

C7H13ClO3 — CID 103970733

IUPAC5-chloropentyl methyl carbonate
SMILESCOC(=O)OCCCCCCl
InChIInChI=1S/C7H13ClO3/c1-10-7(9)11-6-4-2-3-5-8/h2-6H2,1H3
InChIKeyHHFDDBYHSVXDNW-UHFFFAOYSA-N
MW180.63 g/mol
LogP2.18
Rot. Bonds5

About 5-chloropentyl methyl carbonate

5-chloropentyl methyl carbonate (PubChem CID 103970733) has the molecular formula C7H13ClO3 and a molecular weight of 180.63 g/mol. Its IUPAC name is 5-chloropentyl methyl carbonate.

Molecular Properties

Compound Name5-chloropentyl methyl carbonate
PubChem CID103970733
Molecular FormulaC7H13ClO3
Molecular Weight180.63 g/mol
Exact Mass180.06
IUPAC Name5-chloropentyl methyl carbonate
SMILESCOC(=O)OCCCCCCl
InChIInChI=1S/C7H13ClO3/c1-10-7(9)11-6-4-2-3-5-8/h2-6H2,1H3
InChIKeyHHFDDBYHSVXDNW-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
6-chlorohexyl propan-2-yl carbonate
CID 107708041
8-chlorooctyl ethyl carbonate
CID 91699397
azane;methyl tetradecyl carbonate
CID 118914581
4-chlorobutyl ethyl carbonate
CID 103970561
8-chlorooctyl acetate
CID 527879
8-chlorooctyl 2,2-dichloroacetate
CID 13031329
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
10-(dimethylamino)decyl methyl carbonate;ethane
CID 177226338
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124

Frequently Asked Questions

What is the IUPAC name of 5-chloropentyl methyl carbonate?
The IUPAC name of 5-chloropentyl methyl carbonate (CID 103970733) is 5-chloropentyl methyl carbonate.
What is the SMILES notation for 5-chloropentyl methyl carbonate?
The canonical SMILES for 5-chloropentyl methyl carbonate is COC(=O)OCCCCCCl.
What is the InChIKey of 5-chloropentyl methyl carbonate?
The InChIKey is HHFDDBYHSVXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3/c1-10-7(9)11-6-4-2-3-5-8/h2-6H2,1H3.
What are the key properties of 5-chloropentyl methyl carbonate?
5-chloropentyl methyl carbonate has a molecular weight of 180.63 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropentyl methyl carbonate is sourced from PubChem (CID 103970733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).